8aH-1,3-benzodioxine

C8H8O2 — CID 67980753

IUPAC8aH-1,3-benzodioxine
SMILESC1=CC2=COCOC2C=C1
InChIInChI=1S/C8H8O2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5,8H,6H2
InChIKeyAWEIFOVIFPDFAN-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.37
Rot. Bonds

About 8aH-1,3-benzodioxine

8aH-1,3-benzodioxine (PubChem CID 67980753) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 8aH-1,3-benzodioxine.

Molecular Properties

Compound Name8aH-1,3-benzodioxine
PubChem CID67980753
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name8aH-1,3-benzodioxine
SMILESC1=CC2=COCOC2C=C1
InChIInChI=1S/C8H8O2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5,8H,6H2
InChIKeyAWEIFOVIFPDFAN-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8aH-1,3-benzodioxine?
The IUPAC name of 8aH-1,3-benzodioxine (CID 67980753) is 8aH-1,3-benzodioxine.
What is the SMILES notation for 8aH-1,3-benzodioxine?
The canonical SMILES for 8aH-1,3-benzodioxine is C1=CC2=COCOC2C=C1.
What is the InChIKey of 8aH-1,3-benzodioxine?
The InChIKey is AWEIFOVIFPDFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5,8H,6H2.
What are the key properties of 8aH-1,3-benzodioxine?
8aH-1,3-benzodioxine has a molecular weight of 136.15 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-1,3-benzodioxine is sourced from PubChem (CID 67980753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).